Details of the Drug

General Information of Drug (ID: DM4VDMP)

Drug Name
silahexocyclium
Synonyms
Silahexocyclium; 124393-85-7; Sila-hexocyclium; cyclohexyl-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-hydroxy-phenylsilane; AC1L2WWH; GTPL331; L001247; Piperazinium, 4-((cyclohexylhydroxyphenylsilyl)methyl)-1,1-dimethyl-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 333.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C19H33N2OSi+
IUPAC Name
cyclohexyl-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-hydroxy-phenylsilane
Canonical SMILES
C[N+]1(CCN(CC1)C[Si](C2CCCCC2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C19H33N2OSi/c1-21(2)15-13-20(14-16-21)17-23(22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,22H,4,7-8,11-17H2,1-2H3/q+1
InChIKey
GBISIIAKUATURW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
130169
CAS Number
124393-85-7
TTD ID
D00NRJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor (CHRM) TTOXS3C NOUNIPROTAC Antagonist [2]
Muscarinic acetylcholine receptor M3 (CHRM3) TTQ13Z5 ACM3_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M3 (CHRM3) DTT CHRM3 4.61E-07 -0.59 -0.73
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 331).
2 Antagonist binding properties of five cloned muscarinic receptors expressed in CHO-K1 cells. Mol Pharmacol. 1989 Apr;35(4):469-76.